3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione

C15H22N2O2 — CID 64972432

IUPAC3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
SMILESC#CC(C)(C)N1C(=O)C(C)(C2CC2)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2/c1-6-11-12(18)16-15(5,10-8-9-10)13(19)17(11)14(3,4)7-2/h2,10-11H,6,8-9H2,1,3-5H3,(H,16,18)
InChIKeyXDXYKZALCRZIKM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds3

About 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione (PubChem CID 64972432) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
PubChem CID64972432
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
SMILESC#CC(C)(C)N1C(=O)C(C)(C2CC2)NC(=O)C1CC
InChIInChI=1S/C15H22N2O2/c1-6-11-12(18)16-15(5,10-8-9-10)13(19)17(11)14(3,4)7-2/h2,10-11H,6,8-9H2,1,3-5H3,(H,16,18)
InChIKeyXDXYKZALCRZIKM-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-6-ethyl-1-(4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64957444
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
CID 64960889
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
3-cyclopropyl-6-ethyl-3-methyl-1-(5-methyl-3-pyridinyl)piperazine-2,5-dione
CID 107586974
3-cyclopropyl-6-ethyl-3-methyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586911
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-3-methyl-1,6-dipropylpiperazine-2,5-dione
CID 64886332

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione (CID 64972432) is 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione is C#CC(C)(C)N1C(=O)C(C)(C2CC2)NC(=O)C1CC.
What is the InChIKey of 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione?
The InChIKey is XDXYKZALCRZIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-11-12(18)16-15(5,10-8-9-10)13(19)17(11)14(3,4)7-2/h2,10-11H,6,8-9H2,1,3-5H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione has a molecular weight of 262.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64972432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).